2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile

C9H10FNS — CID 137417417

IUPAC2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile
SMILESCS(C)(F)c1ccccc1C#N
InChIInChI=1S/C9H10FNS/c1-12(2,10)9-6-4-3-5-8(9)7-11/h3-6H,1-2H3
InChIKeyXPVVBSXPPZWKJK-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.87
Rot. Bonds1

About 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile

2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile (PubChem CID 137417417) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile.

Molecular Properties

Compound Name2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile
PubChem CID137417417
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile
SMILESCS(C)(F)c1ccccc1C#N
InChIInChI=1S/C9H10FNS/c1-12(2,10)9-6-4-3-5-8(9)7-11/h3-6H,1-2H3
InChIKeyXPVVBSXPPZWKJK-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile?
The IUPAC name of 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile (CID 137417417) is 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile.
What is the SMILES notation for 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile?
The canonical SMILES for 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile is CS(C)(F)c1ccccc1C#N.
What is the InChIKey of 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile?
The InChIKey is XPVVBSXPPZWKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS/c1-12(2,10)9-6-4-3-5-8(9)7-11/h3-6H,1-2H3.
What are the key properties of 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile?
2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile has a molecular weight of 183.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(dimethyl)-λ4-sulfanyl]benzonitrile is sourced from PubChem (CID 137417417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).